Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.35 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | RARB | P10826 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.30 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2108013 | 0.85 | — | — | |
| Chloroform SCHEMBL28238708 | 0.82 | TSHR (0.57) | TSHRCYP3A4HTTMAPTMEN1 | |
| SCHEMBL4359409 | 0.80 | TSHR (0.41) | TSHRCYP3A4HTTMAPTMEN1 | |
| SCHEMBL27130 | 0.79 | TSHR (0.67) | TSHRCYP3A4HTTMAPTMEN1 | |
| SCHEMBL217238 | 0.79 | TSHR (0.67) | TSHRCYP3A4HTTMAPTMEN1 | |
| SCHEMBL1132722 | 0.79 | TSHR (0.67) | TSHRCYP3A4HTTMAPTMEN1 | |
| SCHEMBL8636270 | 0.79 | TSHR (0.67) | TSHRCYP3A4HTTMAPTMEN1 | |
| SCHEMBL39514 | 0.79 | TSHR (0.67) | TSHRCYP3A4HTTMAPTMEN1 | |
| SCHEMBL30673 | 0.79 | TSHR (0.67) | TSHRCYP3A4HTTMAPTMEN1 | |
| SCHEMBL988078 | 0.79 | TSHR (0.67) | TSHRCYP3A4HTTMAPTMEN1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108531317-A | A kind of coal tar cleaning agent | 长沙森彬环保科技有限公司 | 2018-09-14 | — | — | CN | disclosed |